About 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine
3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine (PubChem CID 160900651) has the molecular formula C174H237N15O15S2
and a molecular weight of 2843.03 g/mol. Its IUPAC name is 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine.
Frequently Asked Questions
What is the IUPAC name of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The IUPAC name of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine (CID 160900651) is 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine.
What is the SMILES notation for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The canonical SMILES for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine is CC(=O)Cc1cccc(C(C)C)c1.CC(C)(C)c1ccc(OCc2ccccc2)nc1.CC(C)(C)c1cccc(C(N)=O)c1.CC(C)c1cc2ccc(S(C)(=O)=O)cc2n1C.CC(C)c1ccc(C(=O)N2CCCC2)cc1.CC(C)c1ccc(N2CCOCC2)nc1.CC(C)c1ccc2c(c1)OCCO2.CC(C)c1ccc2nccn2c1.CC(C)c1cccc(NS(C)(=O)=O)c1.CC(C)c1cn(C)nc1Cc1ccccc1.CC(C)c1cnn(C2COC2)c1.CCOCCn1c(C(C)(C)C)cc2ccccc21.CN1C(=O)C(C)(C)c2cc(C(C)(C)C)ccc21.COc1ccccc1C(C)(C)C.
What is the InChIKey of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
The InChIKey is SPLLDGOFCXUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO.C16H23NO.C15H21NO.C14H18N2.C14H19NO.C13H17NO2S.C12H18N2O.C12H16O.C11H15NO.C11H14O2.C11H16O.C10H12N2.C10H15NO2S.C9H14N2O/c1-16(2,3)14-9-10-15(17-11-14)18-12-13-7-5-4-6-8-13;1-5-18-11-10-17-14-9-7-6-8-13(14)12-15(17)16(2,3)4;1-14(2,3)10-7-8-12-11(9-10)15(4,5)13(17)16(12)6;1-11(2)13-10-16(3)15-14(13)9-12-7-5-4-6-8-12;1-11(2)12-5-7-13(8-6-12)14(16)15-9-3-4-10-15;1-9(2)12-7-10-5-6-11(17(4,15)16)8-13(10)14(12)3;1-10(2)11-3-4-12(13-9-11)14-5-7-15-8-6-14;1-9(2)12-6-4-5-11(8-12)7-10(3)13;1-11(2,3)9-6-4-5-8(7-9)10(12)13;1-8(2)9-3-4-10-11(7-9)13-6-5-12-10;1-11(2,3)9-7-5-6-8-10(9)12-4;1-8(2)9-3-4-10-11-5-6-12(10)7-9;1-8(2)9-5-4-6-10(7-9)11-14(3,12)13;1-7(2)8-3-10-11(4-8)9-5-12-6-9/h4-11H,12H2,1-3H3;6-9,12H,5,10-11H2,1-4H3;7-9H,1-6H3;4-8,10-11H,9H2,1-3H3;5-8,11H,3-4,9-10H2,1-2H3;5-9H,1-4H3;3-4,9-10H,5-8H2,1-2H3;4-6,8-9H,7H2,1-3H3;4-7H,1-3H3,(H2,12,13);3-4,7-8H,5-6H2,1-2H3;5-8H,1-4H3;3-8H,1-2H3;4-8,11H,1-3H3;3-4,7,9H,5-6H2,1-2H3.
What are the key properties of 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine?
3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine has a molecular weight of 2843.03 g/mol, XLogP of 38.91, 28 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-4-propan-2-ylpyrazole;3-tert-butylbenzamide;2-tert-butyl-1-(2-ethoxyethyl)indole;1-tert-butyl-2-methoxybenzene;5-tert-butyl-2-phenylmethoxypyridine;5-tert-butyl-1,3,3-trimethylindol-2-one;1-methyl-6-methylsulfonyl-2-propan-2-ylindole;1-(oxetan-3-yl)-4-propan-2-ylpyrazole;6-propan-2-yl-2,3-dihydro-1,4-benzodioxine;6-propan-2-ylimidazo[1,2-a]pyridine;N-(3-propan-2-ylphenyl)methanesulfonamide;1-(3-propan-2-ylphenyl)propan-2-one;(4-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone;4-(5-propan-2-yl-2-pyridinyl)morpholine is sourced from PubChem (CID 160900651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).